3793-3428 Screening compound: propyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate

3793-3428 Screening compound: propyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate
3793-3428 Screening compound: propyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3428
propyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3793-3428

Molecular Formula

C25H25F3O7 (C25 H25 F3 O7)

Compound Name

propyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate

IUPAC name

propyl 2-{[3-(34-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate

SMILES

CCCOC(C(CC)Oc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)cc(OC)c3OC)c1C2=O)=O

InChI

InChI=1S/C25H25F3O7/c1-5-11-33-24(30)17(6-2)34-15-8-9-16-19(13-15)35-23(25(26,27)28)21(22(16)29)14-7-10-18(31-3)20(12-14)32-4/h7-10,12-13,17H,5-6,11H2,1-4H3/t17-/m0/s1

InChI Key

YEUSEYKVTCLJLX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02356295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.41

Polar Surface Area

63.259

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 3793-3428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3428?
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What is the minimum amount of 3793-3428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3428
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3793-3428 available by request